2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one

C11H15NO2 — CID 11183152

IUPAC2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one
SMILESC=CCC1OC(=O)C=C1N1CCCC1
InChIInChI=1S/C11H15NO2/c1-2-5-10-9(8-11(13)14-10)12-6-3-4-7-12/h2,8,10H,1,3-7H2
InChIKeyOEDHQXWEHKEGQM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.47
Rot. Bonds3

About 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one

2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one (PubChem CID 11183152) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one.

Molecular Properties

Compound Name2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one
PubChem CID11183152
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one
SMILESC=CCC1OC(=O)C=C1N1CCCC1
InChIInChI=1S/C11H15NO2/c1-2-5-10-9(8-11(13)14-10)12-6-3-4-7-12/h2,8,10H,1,3-7H2
InChIKeyOEDHQXWEHKEGQM-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one?
The IUPAC name of 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one (CID 11183152) is 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one.
What is the SMILES notation for 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one?
The canonical SMILES for 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one is C=CCC1OC(=O)C=C1N1CCCC1.
What is the InChIKey of 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one?
The InChIKey is OEDHQXWEHKEGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-5-10-9(8-11(13)14-10)12-6-3-4-7-12/h2,8,10H,1,3-7H2.
What are the key properties of 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one?
2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one has a molecular weight of 193.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-3-pyrrolidin-1-yl-2H-furan-5-one is sourced from PubChem (CID 11183152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).